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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Electromagnetic Characteristics of the Tianlai Cylindrical Pathfinder Array

A great challenge for 21 cm intensity mapping experiments is the strong foreground radiation which is orders of magnitude brighter than the 21 cm signal. Removal of the foreground takes advantage of the fact that its frequency spectrum is smooth while the redshifted 21 cm signal spectrum is stochastic. However, a complication is the non-smoothness of the instrument response. This paper describes the electromagnetic simulation of the Tianlai cylinder array, a pathfinder for 21 cm intensity mapping experiments. Due to the vast scales involved, a direct simulation requires a large amount of computing resources. We have made the simulation practical by using a combination of methods: first simulate a single feed, then an array of feed units, finally with the feed array and a cylindrical reflector together, obtain the response for a single cylinder. We studied its radiation pattern, bandpass response and the effects of mutual coupling between feed units, and compared the results with observation. Many features seen in the measurement result are reproduced well in the simulation, especially the oscillatory features which are associated with the standing waves on the reflector. The mutual coupling between feed units is quantified with S-parameters, which decrease as the distance between the two feeds increases. Based on the simulated S-parameters, we estimate the correlated noise which has been seen in the visibility data, and the results show very good agreement with the data in both magnitude and frequency structures. These results provide useful insights on the problem of 21 cm signal extraction for real instruments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A Time Series Sustainability Assessment of a Partial Energy Portfolio Transition

Energy portfolios are overwhelmingly dependent on fossil fuel resources that perpetuate the consequences associated with climate change. Therefore, it is imperative to transition to more renewable alternatives to limit further harm to the environment. This study presents a univariate time series prediction model that evaluates sustainability outcomes of partial energy transitions. Future electricity generation at the state-level is predicted using exponential smoothing and autoregressive integrated moving average (ARIMA). The best prediction results are then used as an input for a sustainability assessment of a proposed transition by calculating carbon, water, land, and cost footprints. Missouri, USA was selected as a model testbed due to its dependence on coal. Of the time series methods, ARIMA exhibited the best performance and was used to predict annual electricity generation over a 10-year period. The proposed transition consisted of a one-percent annual decrease of coal’s portfolio share to be replaced with an equal share of solar and wind supply. The sustainability outcomes of the transition demonstrate decreases in carbon and water footprints but increases in land and cost footprints. Decision makers can use the results presented here to better inform strategic provisioning of critical resources in the context of proposed energy transitions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1980

Method and apparatus for Doppler frequency modulation of radiation

A method and apparatus are described for frequency modulating radiation, such as from a laser, for optoacoustic detectors, interferometers, heterodyne spectrometers, and similar devices. Two oppositely reciprocating cats-eye retroreflectors are used to Doppler modulate the radiation. By reciprocally moving both retroreflectors, the center of mass is maintained constant to permit smooth operation at many Hertz. By slightly offsetting the axis of one retroreflector relative to the other, multiple passes of a light beam may be achieved for greater Doppler shifts with the same reciprocating motion of the retroreflectors.

Margolis, J. S.↗
NASA NTRS1981

Determination of wind from NIMBUS 6 satellite sounding data

Objective methods of computing upper level and surface wind fields from NIMBUS 6 satellite sounding data are developed. These methods are evaluated by comparing satellite derived and rawinsonde wind fields on gridded constant pressure charts in four geographical regions. Satellite-derived and hourly observed surface wind fields are compared. Results indicate that the best satellite-derived wind on constant pressure charts is a geostrophic wind derived from highly smoothed fields of geopotential height. Satellite-derived winds computed in this manner and rawinsonde winds show similar circulation patterns except in areas of small height gradients. Magnitudes of the standard deviation of the differences between satellite derived and rawinsonde wind speeds range from approximately 3 to 12 m/sec on constant pressure charts and peak at the jet stream level. Fields of satellite-derived surface wind computed with the logarithmic wind law agree well with fields of observed surface wind in most regions. Magnitudes of the standard deviation of the differences in surface wind speed range from approximately 2 to 4 m/sec, and satellite derived surface winds are able to depict flow across a cold front and around a low pressure center.

Carle, W. E.↗
NASA NTRS1985

Analysis of two-dimensional incompressible flow past airfoils using unsteady Navier-Stokes equations

The conservative form of the unsteady Navier-Stokes equations in terms of vorticity and stream function in generalized curvilinear coordinates are used to analyze the flow structure of steady separation and unsteady flow with massive separation. The numerical method solves the discretized equations using an ADI-BGE method. The method is applied to a symmetric 12 percent thick Joukowski airfoil. A conformal clustered grid is generated; several 1-D stretching transformations are used to obtain a grid that attempts to resolve many of the multiple scales of the unsteady flow with massive separation, while maintaining the transformation metrics to be smooth and continuous in the entire flow field. Detailed numerical results are obtained for three flow configurations (1) Re = 1000, alpha = 5 deg, (2) Re = 1000, alpha = 15 deg, (3) Re = 10,000, alpha = 5 deg. No artificial dissipation was added; however, lack of a fine grid in the normal direction has presently led to results which are considered qualitative, especially for case (3).

Ghia, K. N.↗
NASA NTRS1986

Analysis of two-dimensional incompressible flow past airfoils using unsteady Navier-Stokes equations

The conservative form of the unsteady Navier-Stokes equations in terms of vorticity and stream function in generalized curvilinear coordinates are used to analyze the flow structure of steady separation and unsteady flow with massive separation. The numerical method solves the discretized equations using an ADI-BGE method. The method is applied to a symmetric 12 percent thick Joukowski airfoil. A conformal clustered grid is generated; several 1-D stretching transformations are used to obtain a grid that attempts to resolve many of the multiple scales of the unsteady flow with massive separation, while maintaining the transformation metrics to be smooth and continuous in the entire flow field. Detailed numerical results are obtained for three flow configurations (1) Re = 1000, alpha = 5 deg., (2) Re =1000, alpha = 15 deg., (3) Re = 10,000, alpha = 5 deg. No artificial dissipation was added; however, lack of a fine grid in the normal direction has presently led to results which are considered qualitative, especially for case (3).

Ghia, K. N.↗
NASA NTRS1991

Image gathering and digital restoration for fidelity and visual quality

The fidelity and resolution of the traditional Wiener restorations given in the prevalent digital processing literature can be significantly improved when the transformations between the continuous and discrete representations in image gathering and display are accounted for. However, the visual quality of these improved restorations also is more sensitive to the defects caused by aliasing artifacts, colored noise, and ringing near sharp edges. In this paper, these visual defects are characterized, and methods for suppressing them are presented. It is demonstrated how the visual quality of fidelity-maximized images can be improved when (1) the image-gathering system is specifically designed to enhance the performance of the image-restoration algorithm, and (2) the Wiener filter is combined with interactive Gaussian smoothing, synthetic high edge enhancement, and nonlinear tone-scale transformation. The nonlinear transformation is used primarily to enhance the spatial details that are often obscurred when the normally wide dynamic range of natural radiance fields is compressed into the relatively narrow dynamic range of film and other displays.

Huck, Friedrich O.↗
NASA NTRS1993

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results are shown a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Steinthorsson, E.↗
NASA NTRS1993

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping, and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results shown are a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Steinthorsson, E.↗
NASA NTRS2002

Boundary Layer Transition on Slender Cones in Conventional and Low Disturbance Mach 6 Wind Tunnels

An experimental investigation was conducted on a 5-degree half-angle cone and a 5-degree half-angle flared cone in a conventional Mach 6 wind tunnel to examine the effects of facility noise on boundary layer transition. The influence of tunnel noise was inferred by comparing transition onset locations determined from the present test to that previously obtained in a Mach 6 low disturbance quiet tunnel. Together, the two sets of experiments are believed to represent the first direct comparison of transition onset between a conventional and a low disturbance wind tunnel using a common test model and transition detection technique. In the present conventional hypersonic tunnel experiment, separate measurements of heat transfer and adiabatic wall temperatures were obtained on the conical models at small angles of attack over a range of Reynolds numbers, which resulted in laminar, transitional, and turbulent flow. Smooth model turbulent heating distributions are compared to that obtained with transition forced via discrete surface roughness. The model nosetip radius was varied to examine the effects of bluntness on transition onset. Despite wall to total temperature differences between the transient heating measurements and the adiabatic wall temperature measurement, the two methods for determining sharp cone transition onset generally yielded equivalent locations. In the 'noisy' mode of the hypersonic low disturbance tunnel, transition onset occurred earlier than that measured in the conventional hypersonic tunnel, suggesting higher levels of freestream acoustic radiation relative to the conventional tunnel. At comparable freestream conditions, the transition onset Reynolds number under low disturbance conditions was a factor of 1.3 greater than that measured on flared cone in the LaRC conventional hypersonic tunnel and a factor of 1.6 greater that the flared cone run in the low disturbance tunnel run 'noisy'. Navier-Stokes mean flow computations and linear stability analysis were conducted to assess the experimental results and have indicated N factors associated with sharp flared cone transition onset to be approximately a factor of 2 lower than that inferred from the corresponding low disturbance tunnel measurements.

Horvath, Thomas J.↗
DOE OSTI2023

Growth interface study of CdTeSe crystals grown by the THM technique

The Traveling Heater Method (THM) is a widely accepted technique to grow high-quality detector grade CdTe and CdZnTe ingots, especially for X-ray and gamma-ray detector applications. Unlike melt-growth techniques, the growth interface for ingots produced by the THM technique consists of two different compounds, viz. the solidified region (just below the interface) consists of the compound to be grown (e.g., CdZnTe for CdZnTe growth), while the molten zone just above the growth interface consists of Te-rich CdZnTe. Thus, optimization of the growth parameters is critical to obtain a clean growth interface with the required shape and presence of minimal Te-rich inclusions. Here, in this study, CdTeSe ingots were grown employing the THM technique to investigate the growth interface. Both macroscopic and microscopic behavior of the interface were studied. The study revealed that a microscopically smooth growth interface can be achieved by optimizing the growth parameters, which is essential for obtaining high-quality, inclusion-free ingots.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond

While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for ab initio electronic structure calculations, in practice, the fermionic sign problem necessitates the use of the fixed-node approximation and trial wavefunctions with approximate nodes (or zeros). This approximation introduces a variational error in the energy that potentially can be tested and systematically improved. Here, we present a computational method that produces trial wavefunctions with systematically improvable nodes for DMC calculations of periodic solids. These trial wavefunctions are efficiently generated with the configuration interaction using a perturbative selection made iteratively (CIPSI) method. A simple protocol in which both exact and approximate results for finite supercells are used to extrapolate to the thermodynamic limit is introduced. This approach is illustrated in the case of the carbon diamond using Slater–Jastrow trial wavefunctions including up to one million Slater determinants. Fixed-node DMC energies obtained with such large expansions are much improved, and the fixed-node error is found to decrease monotonically and smoothly as a function of the number of determinants in the trial wavefunction, a property opening the way to a better control of this error. The cohesive energy extrapolated to the thermodynamic limit is in close agreement with the estimated experimental value. Interestingly, this is also the case at the single-determinant level, thus, indicating a very good error cancellation in carbon diamond between the bulk and atomic total fixed-node energies when using single-determinant nodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A scalable multidimensional fully implicit solver for Hall magnetohydrodynamics

We propose an optimally performant fully implicit algorithm for the Hall magnetohydrodynamics (HMHD) equations based on multigrid-preconditioned Jacobian-free Newton-Krylov methods. HMHD is a challenging system to solve numerically because it supports stiff fast dispersive waves. The preconditioner is formulated using an operator-split approximate block factorization (Schur complement), informed by physics insight. We use a vector-potential formulation (instead of a magnetic field one) to allow a clean segregation of the problematic $\nabla$ x $\nabla$ x operator in the electron Ohm's law subsystem. This segregation allows the formulation of an effective damped block-Jacobi smoother for multigrid. We demonstrate by analysis that our proposed block-Jacobi iteration is convergent and has the smoothing property. The resulting HMHD solver is verified linearly with wave propagation examples, and nonlinearly with the GEM challenge reconnection problem by comparison against another HMHD code. We demonstrate the excellent algorithmic and parallel performance of the algorithm up to 16384 MPI tasks in two dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A hybrid smoothed-particle hydrodynamics model of oxide skins on molten aluminum

A computational model of aluminum melting is proposed which captures both the thermal fluid-solid phase transition and the mechanical effects of oxidation. The model hybridizes ideas from smoothed particle hydrodynamics and bonded particle models to simulate both hydrodynamic flows and solid elasticity. Oxidation is represented by dynamically adding and deleting spring-like bonds between surface fluid particles to represent the formation and rupture of the oxide skin. Various complex systems are simulated to demonstrate the adaptability of the method and to illustrate the significant impact of skin properties on material flow. As a result, initial comparison to experiments of a melting aluminum cantilever highlights that the computational model can reproduce key qualitative features of aluminum relocation.

Clemmer, Joel Thomas↗
DOE OSTI2021

Transparent silica aerogel slabs synthesized from nanoparticle colloidal suspensions at near ambient conditions on omniphobic liquid substrates

This paper presents a novel sol-gel method to synthesize large and thick silica aerogel monoliths at near ambient conditions using a commercial aqueous solution of colloidal silica nanoparticles as building blocks. To achieve slabs with high visible transmittance and low thermal conductivity, the method combines the strategies of (i) synthesizing gels on an omniphobic perfluorocarbon liquid substrate, (ii) aging at temperatures above room temperature, and (iii) performing solvent exchange with a low-surface-tension organic solvent prior to ambient drying. The omniphobic liquid substrates were used to prevent cracking and ensure an optically-smooth surface, while nanoparticle building blocks were small (<10 nm) to limit volumetric light scattering. Gels were aged at temperatures between 25 and 80 °C for up to 21 days to make them stronger and stiffer and to reduce shrinkage and cracking during ambient drying. Ambient drying was achieved by first exchanging water in the gel pores for octane, followed by drying in an octane-rich atmosphere to decrease capillary forces. The synthesized nanoparticle-based silica aerogel monoliths had thicknesses up to 5 mm, diameters up to 10 cm, porosities exceeding 80%, and thermal conductivities as low as 0.08 W m –1 K –1 . Notably, the slabs featured visible transmittance exceeding 75% even for slabs as thick as 5 mm. The as-synthesized aerogel monoliths were exposed to TMCS vapor to induce hydrophobic properties resulting in a water contact angle of 140° that prevented water infiltration into the pores and protected the aerogels from water damage. This simple synthesis route conducted at near ambient conditions produces hydrophobic aerogel monoliths with promising optically transparent and thermally insulating properties that can be adhered to glass panes for window insulation and solar-thermal energy conversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Confining Liquids inside Carbon Nanotubes: Accelerated Molecular Dynamics with Spliced, Soft-Core Potentials and Simulated Annealing

Understanding emergent phenomena of fluids under physical confinement requires the development of advanced tools for rapid and accurate simulation of their physiochemical properties. Simulating liquid molecules commensurate in size with the nanoscale enclosures that confine them is a key challenge. In this work, we demonstrate an accelerated molecular dynamics simulation technique that combines soft-core potentials (SCP) and simulated annealing (SA) to analyze confined liquids. This integrated SCP/SA method relies on a new spliced soft-core potential (SSCP), which enables tunable accuracy with respect to the target hard-core potential (HCP). SCP/SA enables the packing of enclosures with bulk material in a controlled, thermodynamically consistent manner. The enhanced SSCP accuracy is a critical feature of SCP/SA, enabling a smooth transition between the SCP and the HCP at a desired SCP hardness. We applied SCP/SA to the problem of filling a carbon nanotube (CNT) in periodic boundary conditions with a popular ionic liquid (IL), 1- butyl-3-methylimidazolium hexafluorophosphate $[\text{BMIM}^+][\text{PF}^–_6]$. We performed a series of triplicate simulations on systems with varying CNT diameter and charge to demonstrate SCP/SA’s versatility. Beyond this IL/CNT system, the SCP/SA simulation framework has a broad range of potential applications, not limited to nanoscale enclosures and interfaces, including both solid-state and biological systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Learning in continuous action space for developing high dimensional potential energy models

Reinforcement learning (RL) approaches that combine a tree search with deep learning have found remarkable success in searching exorbitantly large, albeit discrete action spaces, as in chess, Shogi and Go. Many real-world materials discovery and design applications, however, involve multi-dimensional search problems and learning domains that have continuous action spaces. Exploring high-dimensional potential energy models of materials is an example. Traditionally, these searches are time consuming (often several years for a single bulk system) and driven by human intuition and/or expertise and more recently by global/local optimization searches that have issues with convergence and/or do not scale well with the search dimensionality. Here, in a departure from discrete action and other gradient-based approaches, we introduce a RL strategy based on decision trees that incorporates modified rewards for improved exploration, efficient sampling during playouts and a “window scaling scheme" for enhanced exploitation, to enable efficient and scalable search for continuous action space problems. Using high-dimensional artificial landscapes and control RL problems, we successfully benchmark our approach against popular global optimization schemes and state of the art policy gradient methods, respectively. We demonstrate its efficacy to parameterize potential models (physics based and high-dimensional neural networks) for 54 different elemental systems across the periodic table as well as alloys. We analyze error trends across different elements in the latent space and trace their origin to elemental structural diversity and the smoothness of the element energy surface. Broadly, our RL strategy will be applicable to many other physical science problems involving search over continuous action spaces.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Software for C1 interpolation

The problem of mathematically defining a smooth surface, passing through a finite set of given points is studied. Literature relating to the problem is briefly reviewed. An algorithm is described that first constructs a triangular grid in the (x,y) domain, and first partial derivatives at the modal points are estimated. Interpolation in the triangular cells using a method that gives C sup.1 continuity overall is examined. Performance of software implementing the algorithm is discussed. Theoretical results are presented that provide valuable guidance in the development of algorithms for constructing triangular grids.

Lawson, C. L.↗